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N-9-Triptycylurea
SpectraBase Compound ID 5bDfLtzecXe
InChI InChI=1S/C21H16N2O/c22-20(24)23-21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h1-12,19H,(H3,22,23,24)
InChIKey XSHREUDBMYWOAA-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C21H16N2O
Exact Mass 312.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cLSh71wkZf
Name N-9-Triptycylurea
Alternate Name(s) N-pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-ylurea
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Formula C21H16N2O
InChI InChI=1S/C21H16N2O/c22-20(24)23-21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h1-12,19H,(H3,22,23,24)
InChIKey XSHREUDBMYWOAA-UHFFFAOYSA-N
Molecular Weight 312.372 g/mol
SMILES N(C12c3c(cccc3)C(c3c1cccc3)c1c2cccc1)C(=O)N
SPLASH splash10-0uxr-0091000000-99cd84226dce4f2787bc
Source of Spectrum F-51-7901-26
Wiley ID 792653